SCHEMBL22049376

SCHEMBL22049376

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1c[nH]c2ncc(-c3ccncc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.64
▸ RIPK1 Q13546 7/20 0.55
▸ IGF1R P08069 5/20 0.55
▸ STING1 Q86WV6 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.52
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ AXL P30530 1/20 0.49
▸ BRAF P15056 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21988127 0.92 RIPK1 (0.65) AAK1RIPK1IGF1RSTING1IKBKB
SCHEMBL22049648 0.91 AAK1 (0.58) AAK1RIPK1IGF1RSTING1TRPV1
SCHEMBL22049644 0.90 AAK1 (0.68) AAK1RIPK1IGF1RSTING1BRAF
SCHEMBL22049501 0.89 AAK1 (0.61) AAK1RIPK1IGF1RSTING1IKBKB
SCHEMBL22049567 0.89 AAK1 (0.59) AAK1RIPK1IGF1RSTING1IKBKB
SCHEMBL22050319 0.88 AAK1 (0.61) AAK1RIPK1IGF1RSTING1TRPV1
SCHEMBL22050275 0.88 AAK1 (0.56) AAK1RIPK1IGF1RSTING1IKBKB
SCHEMBL22049421 0.86 CA12 (0.58) AAK1RIPK1IGF1RSTING1IKBKB
SCHEMBL22049601 0.86 AAK1 (0.58) AAK1RIPK1IGF1RSTING1TRPV1
SCHEMBL21988041 0.84 STING1 (0.59) AAK1RIPK1IGF1RSTING1TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO disclosed
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AAK1 1490/4885RIPK1 195/4885IGF1R 2592/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 AAK1 1803/4885RIPK1 245/4885IGF1R 3134/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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